7CE4

Tankyrase2 catalytic domain in complex with K-476

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Poly [ADP-ribose] polymerase tankyrase-2	polymer	191	21824.5	1	UniProt (Q9H2K2) Pfam (PF00644)	Homo sapiens (Human)	ADP-ribosyltransferase diphtheria toxin-like 6,ARTD6,Poly [ADP-ribose] polymerase 5B,Protein poly-ADP-ribosyltransferase tankyrase-2,TNKS-2,TRF1-interacting ankyrin-related ADP-ribose polymerase 2,Tankyrase II,Tankyrase-2,TANK2,Tankyrase-like protein,Tankyrase-related protein
2	B (B)	Poly [ADP-ribose] polymerase tankyrase-2	polymer	49	5493.2	1	UniProt (Q9H2K2)	Homo sapiens (Human)
3	C (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
4	D, E (A)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
5	F (A)	5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4H-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile	non-polymer		552.6	1	Chemie (KK6)
6	G (A)	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
7	H, I (A, B)	water	water		18.0	275	Chemie (HOH)

Sequence modifications

A: 946 - 1113 (UniProt: Q9H2K2)

PDB	External Database	Details
Met 923	-	initiating methionine
His 924	-	expression tag
His 925	-	expression tag
His 926	-	expression tag
His 927	-	expression tag
His 928	-	expression tag
His 929	-	expression tag
Ser 930	-	expression tag
Ser 931	-	expression tag
Gly 932	-	expression tag
Val 933	-	expression tag
Asp 934	-	expression tag
Leu 935	-	expression tag
Gly 936	-	expression tag
Thr 937	-	expression tag
Glu 938	-	expression tag
Asn 939	-	expression tag
Leu 940	-	expression tag
Tyr 941	-	expression tag
Phe 942	-	expression tag
Gln 943	-	expression tag
Ser 944	-	expression tag
Met 945	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	27317.8
Non-Polymers*	Number of molecules	5
	Total formula weight	1004.4
All*	Total formula weight	28322.1

*Water molecules are not included.